Data quality metrics extracted from 6hgy.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "37ae0cd8b304b53a3819196ad7fb0142",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.560,
    "b": 44.884,
    "c": 49.990,
    "alpha": 90.00,
    "beta": 115.91,
    "gamma": 90.00
  },
  "wavelengths": [0.99992],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.97,2.20],
    "number_observations_unique": 8527,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 7.69
      },
      {
        "type": "Completeness",
        "value": 86.9
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.42,2.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.425
        },
        {
          "type": "Completeness",
          "value": 77.8
        },
        {
          "type": "Redundancy",
          "value": 3.9
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):